Glycoside
GD010522
Name:
NoneFormula:
C55H85O19NSmiles:
CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@@H]2O[C@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](OC4OC(C)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@H]2OCAglycone:
CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OCSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 11 |
| MolWt: | 1064.27 | Num_heavy_atoms: | 75 |
| TPSA: | 255.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD08116
Formula: C43H69O12N
Smiles:
CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC| HBA: | 13 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 792.02 | Num_heavy_atoms: | 56 |
| TPSA: | 178.36 | NumAromaticRings: | 0 |
